SCHEMBL769243

SCHEMBL769243

CC(=O)C1(C(=O)N[C@H](C)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
MME P08473 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 5/20 0.47
EPHX2 P34913 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL769244 1.00 ALDH1A1 (0.51) ALDH1A1HPGDLMNATP53HTT
SCHEMBL3178511 0.94 LMNA (0.55) ALDH1A1HPGDLMNATP53HTT
SCHEMBL3178518 0.94 LMNA (0.55) ALDH1A1HPGDLMNATP53HTT
SCHEMBL16847415 0.86 RECQL (0.46) ALDH1A1HPGDLMNATP53HTT
SCHEMBL3387669 0.86 OPRK1 (0.53) ALDH1A1HPGDLMNATP53HTT
SCHEMBL13483598 0.83 LMNA (0.56) ALDH1A1HPGDLMNATP53HTT
SCHEMBL18102721 0.78 TDP1 (0.47) ALDH1A1HPGDLMNARECQLHSD17B10
SCHEMBL1754100 0.75 ACACB (0.65) ALDH1A1HPGDLMNARECQLHSD17B10
SCHEMBL640385 0.75 ACACB (0.65) ALDH1A1HPGDLMNARECQLHSD17B10
SCHEMBL540666 0.75 ACACB (0.65) ALDH1A1HPGDLMNARECQLHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC 2012-03-22 US disclosed
WO-2010141545-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 WO disclosed
EP-0529688-B1 Azaspiro(n,m)alkanes and diazaspiro(n,m)-alkanes DAIICHI SEIYAKU CO (JP) 1997-11-12 EP disclosed
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071459-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R ALDH1A1 1791/4885HPGD 1834/4885LMNA 3893/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.